{"data":{"id":"10.6084/m9.figshare.c.2113925.v1","type":"dois","attributes":{"doi":"10.6084/m9.figshare.c.2113925.v1","prefix":"10.6084","suffix":"m9.figshare.c.2113925.v1","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Peng, Ying","givenName":"Ying","familyName":"Peng","affiliation":[],"nameIdentifiers":[]},{"name":"Wu, Hui","givenName":"Hui","familyName":"Wu","affiliation":[],"nameIdentifiers":[]},{"name":"Zhang, Xueyuan","givenName":"Xueyuan","familyName":"Zhang","affiliation":[],"nameIdentifiers":[]},{"name":"Wang, Yu","givenName":"Yu","familyName":"Wang","affiliation":[],"nameIdentifiers":[]},{"name":"Sang, Hua","givenName":"Hua","familyName":"Sang","affiliation":[],"nameIdentifiers":[]},{"name":"Wang, Guangji","givenName":"Guangji","familyName":"Wang","affiliation":[],"nameIdentifiers":[]},{"name":"Sun, Jianguo","givenName":"Jianguo","familyName":"Sun","affiliation":[],"nameIdentifiers":[]},{"name":"Zhang, Fengyi","givenName":"Fengyi","familyName":"Zhang","affiliation":[],"nameIdentifiers":[]},{"name":"Qi, Huanhuan","givenName":"Huanhuan","familyName":"Qi","affiliation":[],"nameIdentifiers":[]},{"name":"Zhong, Yunxi","givenName":"Yunxi","familyName":"Zhong","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"A comprehensive assay for nine major cytochrome P450 enzymes activities with 16 probe reactions on human liver microsomes by a single LC/MS/MS run to support reliable \u003ci\u003ein vitro\u003c/i\u003e inhibitory drug–drug interaction evaluation"}],"publisher":"Taylor \u0026 Francis","container":{},"publicationYear":2015,"subjects":[{"subject":"Virology"},{"subject":"Infectious Diseases"},{"subject":"FOS: Health sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Biological Sciences"},{"subject":"Chemistry"},{"subject":"Earth and Environmental Sciences"},{"subject":"Biotechnology"},{"subject":"Pharmacology"},{"subject":"Molecular Biology"},{"subject":"Biochemistry"},{"subject":"Biophysics"}],"contributors":[],"dates":[{"date":"2015-12-05","dateType":"Created"},{"date":"2019-08-19","dateType":"Updated"},{"date":"2015","dateType":"Issued"}],"language":null,"types":{"ris":"GEN","bibtex":"misc","citeproc":"article","schemaOrg":"Collection","resourceType":"Collection","resourceTypeGeneral":"Collection"},"relatedIdentifiers":[{"relationType":"IsIdenticalTo","relatedIdentifier":"10.6084/m9.figshare.c.2113925","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":[],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"1. A comprehensive method for the simultaneous characterization of xenobiotic compound inhibition of nine major CYP enzymes in human liver microsomes was established by using 16 CYP-catalyzed reactions of 14 probe substrates with three cocktail incubation sets and a single LC/MS/MS analysis.2. The three cocktail subgroups were developed to minimize the effects of organic solvents, polyunsaturated fatty acids and mutual substrate interactions: Group I was composed of tolbutamide (CYP2C9), \u003ci\u003eS\u003c/i\u003e-mephenytoin (CYP2C19), testosterone (CYP3A4), dextromethorphan (CYP2D6); Group II was composed of nifedipine (CYP3A4), midazolam (CYP3A4), coumarin (CYP2A6), bupropion (CYP2B6), diclofenac (CYP2C9); Group III was composed of phenacetin (CYP1A2), chlorzoxazone (CYP2E1), omeprazole (CYP2C19 and CYP3A4), paclitaxel (CYP2C8), (+)-bufuralol (CYP2D6). In the case of CYP2C9, CYP2C19, CYP2D6 and CYP3A4, multiple probe substrates were used due to the phenomenon of multiple substrate-binding pockets and substrate-dependent inhibition. All probe metabolites were simultaneously analyzed with a polarity switching mode in a single LC/MS/MS run.3. This method was validated against the single probe substrate assay using 12 well-characterized CYP inhibitors and two new entities (GT0918, MDV3100). The IC\u003csub\u003e50\u003c/sub\u003e values of each inhibitor in the cocktail agreed well with that of the individual probe drug as well as with values reported in previous literatures.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://tandf.figshare.com/collections/A_comprehensive_assay_for_nine_major_cytochrome_P450_enzymes_activities_with_16_probe_reactions_on_human_liver_microsomes_by_a_single_LC_MS_MS_run_to_support_reliable_i_in_vitro_i_inhibitory_drug_drug_interaction_evaluation/2113925/1","contentUrl":null,"metadataVersion":2,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":0,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2015-12-05T20:49:33.000Z","registered":"2015-12-05T20:49:34.000Z","published":"2015","updated":"2024-03-21T09:27:18.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.c.2113925.v1","type":"media"}},"references":{"data":[]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}